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CAS 1204298-58-7 1-Boc-3-aminoindazole molecular structure lightbox
CAS RN: 1204298-58-7

1-Boc-3-aminoindazole

  • Product code: SSC-021413
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1204298-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1204298-58-7 / tert-butyl 3-aminoindazole-1-carboxylate

tert-Butyl 3-amino-1H-indazole-1-carboxylate | 1-BOC-3-AMINOINDAZOLE | tert-butyl 3-aminoindazole-1-carboxylate

Standard CAS: 1204298-58-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1204298-58-7
Multi CAS
No
Molecular Formula
C12H15N3O2
Molecular Weight
233.270000
Exact Mass
233.116427
SMILES
CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=N1)N
InChI
InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-9-7-5-4-6-8(9)10(13)14-15/h4-7H,1-3H3,(H2,13,14)
InChIKey
LCGKIFRHQLVSLD-UHFFFAOYSA-N
Synonyms
tert-Butyl 3-amino-1H-indazole-1-carboxylate 1-BOC-3-AMINOINDAZOLE tert-butyl 3-aminoindazole-1-carboxylate MFCD12827767 tert-Butyl3-amino-1H-indazole-1-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.78
TPSA
70.14

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
2.5
Consensus LogP
2.34
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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